ethyl 2-(piperidin-4-yl)acetate

• ChemBase ID: 43712
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(CC1CCNCC1)OCC
• Canonical SMILES: CCOC(=O)CC1CCNCC1
• InChI: InChI=1S/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
• InChIKey: IHSUFLCKRIHFGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(piperidin-4-yl)acetate
• IUPAC Traditional name: ethyl 2-(piperidin-4-yl)acetate
• Synonyms: Ethyl 2-(4-piperidinyl)acetate; (Piperidin-4-yl)acetic acid ethyl ester; 4-(2-Ethoxy-2-oxoethyl)piperidine; Ethyl (piperidin-4-yl)acetate; Piperidin-4-yl-acetic acid ethyl ester; Ethyl 2-(piperidin-4-yl)acetate; ethyl piperidin-4-ylacetate

Database IDs

• CAS Number: 59184-90-6
• MDL Number: MFCD02183575
• PubChem SID: 162048475
• PubChem CID: 2760465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6600242
• LogD (pH = 7.4): -2.2029438
• Log P: 0.57153565
• Molar Refractivity: 47.1681 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil
• Boiling Point: 72-73°C/0.08mm
• Hydrophobicity(logP): 0.942

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: Harmful/Store at -20°C; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%